2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one

C20H30N4O2 — CID 91917556

IUPAC2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)N1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(22-8-2-1-3-9-22)11-17-5-4-10-23(14-17)18-12-20(26)24(21-13-18)15-16-6-7-16/h12-13,16-17H,1-11,14-15H2
InChIKeyWANLLZYDHLERGL-UHFFFAOYSA-N
MW358.49 g/mol
LogP2.27
Rot. Bonds5

About 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one

2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one (PubChem CID 91917556) has the molecular formula C20H30N4O2 and a molecular weight of 358.49 g/mol. Its IUPAC name is 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
PubChem CID91917556
Molecular FormulaC20H30N4O2
Molecular Weight358.49 g/mol
Exact Mass358.24
IUPAC Name2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
SMILESO=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)N1CCCCC1
InChIInChI=1S/C20H30N4O2/c25-19(22-8-2-1-3-9-22)11-17-5-4-10-23(14-17)18-12-20(26)24(21-13-18)15-16-6-7-16/h12-13,16-17H,1-11,14-15H2
InChIKeyWANLLZYDHLERGL-UHFFFAOYSA-N
XLogP2.27
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.49
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[3-(2-oxo-2-pyrrolidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one
CID 91917430
2-[(1-methylpiperidin-3-yl)methyl]-5-piperidin-1-ylpyridazin-3-one
CID 72874397
2-[[(3S)-1-methylpiperidin-3-yl]methyl]-5-piperidin-1-ylpyridazin-3-one
CID 97194937
5-[3-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]piperidin-1-yl]-2-(2-methoxyethyl)pyridazin-3-one
CID 91917486
2-[1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]-N-(thiophen-2-ylmethyl)acetamide
CID 91917545
(3S)-N-cyclopentyl-1-[1-(cyclopropylmethyl)-6-oxopyridazin-4-yl]pyrrolidine-3-carboxamide
CID 164631857
2-benzyl-5-[(3R)-3-(piperidine-1-carbonyl)piperidin-1-yl]pyridazin-3-one
CID 95115909
5-(3-methylpiperidin-1-yl)-2-(piperidin-3-ylmethyl)pyridazin-3-one
CID 114395972
N-cyclopropyl-2-[1-[1-(2-methoxyethyl)-6-oxopyridazin-4-yl]piperidin-3-yl]acetamide
CID 91917506
5-(3-methylpiperidin-1-yl)-2-(2-oxopropyl)pyridazin-3-one
CID 114396319
5-pyrrolidin-1-yl-2-(pyrrolidin-3-ylmethyl)pyridazin-3-one;hydrochloride
CID 154899944
2-[2-oxo-2-[(4S)-4-phenylazepan-1-yl]ethyl]-5-pyrrolidin-1-ylpyridazin-3-one
CID 97280225

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one (CID 91917556) is 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one is O=C(CC1CCCN(c2cnn(CC3CC3)c(=O)c2)C1)N1CCCCC1.
What is the InChIKey of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is WANLLZYDHLERGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2/c25-19(22-8-2-1-3-9-22)11-17-5-4-10-23(14-17)18-12-20(26)24(21-13-18)15-16-6-7-16/h12-13,16-17H,1-11,14-15H2.
What are the key properties of 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one?
2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 358.49 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropylmethyl)-5-[3-(2-oxo-2-piperidin-1-ylethyl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 91917556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).